2-{6-chloroimidazo[1,2-a]pyridin-2-yl}ethan-1-amine

• ChemBase ID: 114712
• Molecular Formular: C9H10ClN3
• Molecular Mass: 195.6488
• Monoisotopic Mass: 195.05632502
• SMILES: n12c(nc(c1)CCN)ccc(c2)Cl
• Canonical SMILES: NCCc1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C9H10ClN3/c10-7-1-2-9-12-8(3-4-11)6-13(9)5-7/h1-2,5-6H,3-4,11H2
• InChIKey: RZQHRCFVCAUBIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{6-chloroimidazo[1,2-a]pyridin-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{6-chloroimidazo[1,2-a]pyridin-2-yl}ethanamine
• Synonyms: [2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)ethyl]amine

Database IDs

• CAS Number: 1019111-32-0
• MDL Number: MFCD09863914
• PubChem SID: 162099767
• PubChem CID: 42281418

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.689893
• LogD (pH = 7.4): -1.3222234
• Log P: 0.80784714
• Molar Refractivity: 53.3918 cm^3
• Polarizability: 20.294945 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.729

Product Information

• Purity: 95+%